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Chemical ID: 4513811
Chemical ID:
4513811
Name [?]:
2-(1H-indol-3-yl)-N-trityl-ethanamine
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NCCc4c[nH]c5c4cccc5
InChi [?]:
InChI=1/C29H26N2/c1-4-12-24(13-5-1)29(25-14-6-2-7-15-25,26-16-8-3-9-17-26)31-21-20-23-22-30-28-19-11-10-18-27(23)28/h1-19,22,30-31H,20-21H2
InChi Info:
AuxInfo=1/0/N:1,11,17,2,6,10,12,16,18,29,30,3,5,9,13,15,19,28,31,22,21,24,23,4,8,14,27,26,7,25,20/E:(1,2,3)(4,5,6,7,8,9)(12,13,14,15,16,17)(24,25,26)/rA:31nCCCCCCCCCCCCCCCCCCCNCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s7;s20;s21;s22;d23;s24;s25;s23s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26N2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4021 |
Area: | 617.528 |
Solvation: | -2.03613 |
Coulombic: | -27.5612 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 402.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 7.01 |
LogP (Chemaxon): | 7.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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